General Information of the Compound
Compound ID
CP0430764
Compound Name
2-[4-chloro-2-[(3-chlorophenyl)sulfonylamino]phenoxy]benzoic acid
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Structure
Formula
C19H13Cl2NO5S
Molecular Weight
438.288
Canonical SMILES
OC(=O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1
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InChI
InChI=1S/C19H13Cl2NO5S/c20-12-4-3-5-14(10-12)28(25,26)22-16-11-13(21)8-9-18(16)27-17-7-2-1-6-15(17)19(23)24/h1-11,22H,(H,23,24)
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InChIKey
YISILPLXQXBHSP-UHFFFAOYSA-N
Physicochemical Property
logP
5.2847
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
92.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 49798348
ChEMBL ID
CHEMBL1171614
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01021, C-C chemokine receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 7.943 nM
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